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4,5-Dimethyl-2-methoxyacetophenone - 95%, high purity , CAS No.91969-74-3

COA

Grade & Purity:

≥95%

Cas Number: 91969-74-3
Molecular Weight: 178.231
PubChem CID: 821101
PubChem SID: 488191565

In stock

Item Number

D353685

Grouped product items
SKU	Size	Availability	Price
D353685-250mg	250mg	5	$14.90
D353685-1g	1g	5	$44.90
D353685-5g	5g	2	$172.90

Basic Description

Synonyms	AQ-776/42801615 \| FS-1585 \| 4',5'-Dimethyl-2'-methoxyacetophenone \| 4,5-Dimethyl-2-methoxyacetophenone \| EN300-1849082 \| DTXSID90356280 \| FT-0690617 \| SCHEMBL17363694 \| 2'-methoxy-4',5'-dimethylacetophenone \| 1-(2-methoxy-4,5-dimethylphenyl)ethanone \| AKO
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Acetophenones o-Xylenes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Acetophenone - Phenoxy compound - O-xylene - Xylene - Methoxybenzene - Aryl alkyl ketone - Anisole - Phenol ether - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488191565
IUPAC Name	1-(2-methoxy-4,5-dimethylphenyl)ethanone
INCHI	InChI=1S/C11H14O2/c1-7-5-10(9(3)12)11(13-4)6-8(7)2/h5-6H,1-4H3
InChIKey	OSBUMVWTNSHAAG-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1C)OC)C(=O)C
Isomeric SMILES	CC1=CC(=C(C=C1C)OC)C(=O)C
Molecular Weight	178.231
Reaxy-Rn	2575590
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2575590&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
C2511275	Certificate of Analysis	Jan 09, 2023	D353685
C2325902	Certificate of Analysis	Jan 09, 2023	D353685
C2325924	Certificate of Analysis	Jan 09, 2023	D353685
C2325864	Certificate of Analysis	Jan 09, 2023	D353685
C2325856	Certificate of Analysis	Jan 09, 2023	D353685
C2325859	Certificate of Analysis	Jan 09, 2023	D353685
C2325863	Certificate of Analysis	Jan 09, 2023	D353685

Chemical and Physical Properties

Refractive Index	n20D1.51 (Predicted)
Boil Point(°C)	150-152° C at 12 mmHg
Melt Point(°C)	56° C
Molecular Weight	178.230 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	178.099 Da
Monoisotopic Mass	178.099 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	189.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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